21921
  -OEChem-04262408212D

 16 13  0     0  0  0  0  0  0999 V2000
    1.3360    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360    2.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    5.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    5.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    6.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21921

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBDAAAAAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAAAADBAAQAAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethane-1,2-diamine;dihydroiodide

> <PUBCHEM_IUPAC_CAS_NAME>
ethane-1,2-diamine;dihydroiodide

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethane-1,2-diamine;dihydroiodide

> <PUBCHEM_IUPAC_NAME>
ethane-1,2-diamine;dihydroiodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethane-1,2-diamine;dihydroiodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoethylamine;dihydroiodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
IWNWLPUNKAYUAW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
315.89334

> <PUBCHEM_MOLECULAR_FORMULA>
C2H10I2N2

> <PUBCHEM_MOLECULAR_WEIGHT>
315.92

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CN)N.I.I

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CN)N.I.I

> <PUBCHEM_CACTVS_TPSA>
52

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.89334

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$